Ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate structure

Ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate

ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate

Also Known As: Oprea1_344537|Ethyl 4-(allylamino)-2-(methylthio)pyrimidine-5-carboxylate|KS-00001ZM8|7N-513S|ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate|ethyl 4-(allylamino)-2-(methylsulfanyl)-5-pyrimidinecarboxylate|Ethyl4-(allylamino)-2-(methylthio)pyrimidine-5-carboxylate|Ethyl 2-(methylsulfanyl)-4-[(prop-2-en-1-yl)amino]pyrimidine-5-carboxylate|ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carb|ethyl 4-(allylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate|4-allylamino-2-methylthio-5-pyrimidine carboxylic acid ethyl ester|ethyl 2-methylthio-4-(prop-2-enylamino)pyrimidine-5-carboxylate

CAS: 76360-95-7
Molecular Formula C11H15N3O2S
Molecular Weight 253.0885 g/mol
LogP 2.8
Topological Polar Surface Area 89.4 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 7
Exact Mass 253.0885
Monoisotopic Mass 253.0885
Heavy Atoms 17
Complexity 263.0

Chemical Identifiers

CAS Number 76360-95-7
SMILES CCOC(=O)C1=CN=C(N=C1NCC=C)SC
InChIKey ZRNOFRPDIVVAMC-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.

Heterocyclic Building Blocks (9 patents) Pharmaceutical Intermediates (6 patents)

Product Overview

Ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate (CAS 76360-95-7), with molecular formula C11H15N3O2S and molecular weight 253.0885 g/mol. IUPAC: ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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